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Compile Data Set for Download or QSAR

Found 457 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin II'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasmepsin II


(Plasmodium falciparum)
BDBM50377588
PNG
(CHEMBL257594)
Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C
Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)
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n/an/a 0.130n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50366912
PNG
(CHEMBL1790774)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)[C@H](C)CC
Show InChI InChI=1S/C59H87N9O9/c1-10-12-29-61-52(70)36-51(69)48(32-37(3)4)66-59(75)53(39(7)11-2)68-56(72)42-22-26-45(27-23-42)77-44-24-20-41(21-25-44)55(71)67-50(33-38(5)6)58(74)65-47(19-13-14-28-60)57(73)63-31-15-17-40(8)64-49-35-46(76-9)34-43-18-16-30-62-54(43)49/h16,18,20-27,30,34-35,37-40,47-48,50-51,53,64,69H,10-15,17,19,28-29,31-33,36,60H2,1-9H3,(H,61,70)(H,63,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t39-,40?,47-,48+,50-,51+,53+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50323737
PNG
(CHEMBL1213687 | N-((2S)-1-((2S)-6-amino-1-(4-(6-me...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)[C@@H](C)CC
Show InChI InChI=1S/C59H87N9O9/c1-10-12-29-61-52(70)36-51(69)48(32-37(3)4)66-59(75)53(39(7)11-2)68-56(72)42-22-26-45(27-23-42)77-44-24-20-41(21-25-44)55(71)67-50(33-38(5)6)58(74)65-47(19-13-14-28-60)57(73)63-31-15-17-40(8)64-49-35-46(76-9)34-43-18-16-30-62-54(43)49/h16,18,20-27,30,34-35,37-40,47-48,50-51,53,64,69H,10-15,17,19,28-29,31-33,36,60H2,1-9H3,(H,61,70)(H,63,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t39-,40?,47-,48-,50-,51-,53-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50366909
PNG
(CHEMBL1790773)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc2cc(ccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)[C@H](C)CC
Show InChI InChI=1S/C57H85N9O8/c1-10-12-25-59-50(68)34-49(67)46(28-35(3)4)64-57(73)51(37(7)11-2)66-54(70)43-23-21-39-30-42(22-20-40(39)31-43)53(69)65-48(29-36(5)6)56(72)63-45(19-13-14-24-58)55(71)61-27-15-17-38(8)62-47-33-44(74-9)32-41-18-16-26-60-52(41)47/h16,18,20-23,26,30-33,35-38,45-46,48-49,51,62,67H,10-15,17,19,24-25,27-29,34,58H2,1-9H3,(H,59,68)(H,61,71)(H,63,72)(H,64,73)(H,65,69)(H,66,70)/t37-,38?,45-,46+,48-,49+,51+/m1/s1
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n/an/a 1.51n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50377587
PNG
(CHEMBL404394)
Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12
Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195377
PNG
((4'-{[[1-(3-methyl-butyl)-piperidin-4-yl]-(4-penty...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1)C1CCN(CCC(C)C)CC1
Show InChI InChI=1S/C38H50N2O3/c1-5-6-7-8-30-9-19-35(20-10-30)38(42)40(36-22-25-39(26-23-36)24-21-29(2)3)28-32-13-17-34(18-14-32)33-15-11-31(12-16-33)27-37(41)43-4/h9-20,29,36H,5-8,21-28H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50366908
PNG
(CHEMBL1790772)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc2cc(ccc2c1)C(=O)OCCCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)[C@H](C)CC
Show InChI InChI=1S/C61H91N9O10/c1-10-12-27-63-54(73)37-52(71)49(31-38(3)4)69-60(77)55(40(7)11-2)70-57(74)45-24-22-43-34-46(25-23-42(43)33-45)61(78)80-30-17-21-53(72)67-51(32-39(5)6)59(76)68-48(20-13-14-26-62)58(75)65-29-15-18-41(8)66-50-36-47(79-9)35-44-19-16-28-64-56(44)50/h16,19,22-25,28,33-36,38-41,48-49,51-52,55,66,71H,10-15,17-18,20-21,26-27,29-32,37,62H2,1-9H3,(H,63,73)(H,65,75)(H,67,72)(H,68,76)(H,69,77)(H,70,74)/t40-,41?,48-,49+,51-,52+,55+/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50446323
PNG
(CHEMBL588662)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 after 60 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50316597
PNG
(CHEMBL1098671 | N-((S)-1-((2S,3S)-3-hydroxy-5-oxo-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C
Show InChI InChI=1S/C34H39N5O5/c1-4-18-36-32(42)28(21-25-15-9-6-10-16-25)37-30(41)22-29(40)27(20-24-13-7-5-8-14-24)38-34(44)31(23(2)3)39-33(43)26-17-11-12-19-35-26/h1,5-17,19,23,27-29,31,40H,18,20-22H2,2-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t27-,28-,29-,31-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50316596
PNG
(CHEMBL1098668 | N-((S)-1-((2S,3S)-5-((R)-1-((S)-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCl)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C31H43ClN6O6/c1-18(2)14-23(28(33)41)37-30(43)24(17-32)35-26(40)16-25(39)22(15-20-10-6-5-7-11-20)36-31(44)27(19(3)4)38-29(42)21-12-8-9-13-34-21/h5-13,18-19,22-25,27,39H,14-17H2,1-4H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,43)(H,38,42)/t22-,23-,24-,25-,27-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM580
PNG
((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)
Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010851
PNG
(CHEMBL3264810)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)C1CCCCC1
Show InChI InChI=1S/C40H55N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8,10-11,14-16,19-20,24-27,30,36-37,41,44H,6-7,9,12-13,17-18,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50209559
PNG
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195408
PNG
(CHEMBL220689 | N-[4'-(benzylcarbamoyl-methyl)-biph...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H57N3O2/c1-4-7-11-14-36-17-27-42(28-18-36)44(49)47(32-31-46(29-8-5-2)30-9-6-3)35-39-21-25-41(26-22-39)40-23-19-37(20-24-40)33-43(48)45-34-38-15-12-10-13-16-38/h10,12-13,15-28H,4-9,11,14,29-35H2,1-3H3,(H,45,48)
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n/an/a 46n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM8018
PNG
((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-me...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)CC
Show InChI InChI=1S/C30H45N3O4/c1-6-8-15-31-27(35)19-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)18-22-13-14-23-11-9-10-12-24(23)17-22/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21?,25-,26-,29-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory concentration for Plasmodium falciparum plasmepsin-2 .


J Med Chem 43: 305-41 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195416
PNG
(CHEMBL219994 | N-(2-dibutylamino-ethyl)-4-pentyl-N...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCSCC1
Show InChI InChI=1S/C40H55N3O2S/c1-4-7-10-11-33-12-18-37(19-13-33)40(45)43(27-26-41(24-8-5-2)25-9-6-3)32-34-14-16-35(17-15-34)36-20-22-38(23-21-36)39(44)42-28-30-46-31-29-42/h12-23H,4-11,24-32H2,1-3H3
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n/an/a 56n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010882
PNG
(CHEMBL3264799)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1
Show InChI InChI=1S/C39H54N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,24-27,35-36,40,44H,6-7,9,12-13,19-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195373
PNG
(4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-ami...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H55N3O2/c1-4-7-11-14-35-17-23-41(24-18-35)43(48)46(32-31-45(29-8-5-2)30-9-6-3)34-37-19-21-38(22-20-37)39-25-27-40(28-26-39)42(47)44-33-36-15-12-10-13-16-36/h10,12-13,15-28H,4-9,11,14,29-34H2,1-3H3,(H,44,47)
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n/an/a 72n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010853
PNG
(CHEMBL3264812)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1
Show InChI InChI=1S/C40H49N3O4/c1-6-21-43(22-7-2)39(46)33-25-31(30-17-12-9-13-18-30)24-32(26-33)38(45)42-36(23-29-15-10-8-11-16-29)37(44)28-41-40(3,4)34-19-14-20-35(27-34)47-5/h8-20,24-27,36-37,41,44H,6-7,21-23,28H2,1-5H3,(H,42,45)/t36-,37+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195407
PNG
(CHEMBL207616 | N-(2-dibutylamino-ethyl)-N-[4'-(2-m...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C41H57N3O3/c1-4-7-10-11-34-12-22-39(23-13-34)41(46)44(27-26-42(24-8-5-2)25-9-6-3)33-36-16-20-38(21-17-36)37-18-14-35(15-19-37)32-40(45)43-28-30-47-31-29-43/h12-23H,4-11,24-33H2,1-3H3
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n/an/a 74n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195390
PNG
(4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-ami...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C38H53N3O2/c1-6-9-12-13-31-14-20-36(21-15-31)38(43)41(29-28-40(26-10-7-2)27-11-8-3)30-32-16-18-33(19-17-32)34-22-24-35(25-23-34)37(42)39(4)5/h14-25H,6-13,26-30H2,1-5H3
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n/an/a 77n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195380
PNG
(CHEMBL387315 | N-{4'-[(benzyl-methyl-carbamoyl)-me...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)N(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C45H59N3O2/c1-5-8-12-15-37-18-28-43(29-19-37)45(50)48(33-32-47(30-9-6-2)31-10-7-3)36-40-22-26-42(27-23-40)41-24-20-38(21-25-41)34-44(49)46(4)35-39-16-13-11-14-17-39/h11,13-14,16-29H,5-10,12,15,30-36H2,1-4H3
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n/an/a 91n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010894
PNG
(CHEMBL3264800)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(O)c1)N1CCCCC1
Show InChI InChI=1S/C38H52N4O4/c1-5-18-42(19-6-2)37(46)30-23-29(24-32(25-30)41-20-11-8-12-21-41)36(45)40-34(22-28-14-9-7-10-15-28)35(44)27-39-38(3,4)31-16-13-17-33(43)26-31/h7,9-10,13-17,23-26,34-35,39,43-44H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,45)/t34-,35+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195402
PNG
(CHEMBL374329 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C36H48N2O3/c1-4-7-10-11-29-12-18-32(19-13-29)36(39)38(25-24-37(22-8-5-2)23-9-6-3)27-30-14-16-31(17-15-30)33-20-21-34-35(26-33)41-28-40-34/h12-21,26H,4-11,22-25,27-28H2,1-3H3
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n/an/a 101n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010896
PNG
(CHEMBL3264801)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C38H52N4O3/c1-5-20-42(21-6-2)37(45)31-25-30(26-33(27-31)41-22-14-9-15-23-41)36(44)40-34(24-29-16-10-7-11-17-29)35(43)28-39-38(3,4)32-18-12-8-13-19-32/h7-8,10-13,16-19,25-27,34-35,39,43H,5-6,9,14-15,20-24,28H2,1-4H3,(H,40,44)/t34-,35+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010852
PNG
(CHEMBL3264811)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCC1
Show InChI InChI=1S/C38H52N4O4/c1-6-18-42(19-7-2)37(45)30-23-29(24-32(25-30)41-20-11-12-21-41)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)46-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50146530
PNG
((S)-2-[4-(4-{(S)-1-[(S)-1-((S)-2-Butylcarbamoyl-1-...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1)C(C)CC
Show InChI InChI=1S/C38H56N4O8/c1-8-10-19-39-33(44)22-32(43)30(20-23(3)4)40-37(47)34(25(7)9-2)42-36(46)27-13-17-29(18-14-27)50-28-15-11-26(12-16-28)35(45)41-31(38(48)49)21-24(5)6/h11-18,23-25,30-32,34,43H,8-10,19-22H2,1-7H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)(H,48,49)/t25?,30-,31-,32-,34-/m0/s1
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n/an/a 123n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50366910
PNG
(CHEMBL1790776)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)[C@H](C)CC
Show InChI InChI=1S/C55H87N9O8/c1-10-12-25-57-48(66)34-47(65)44(28-35(3)4)63-55(71)51(37(7)11-2)64-50(68)31-40-22-20-39(21-23-40)30-49(67)61-46(29-36(5)6)54(70)62-43(19-13-14-24-56)53(69)59-27-15-17-38(8)60-45-33-42(72-9)32-41-18-16-26-58-52(41)45/h16,18,20-23,26,32-33,35-38,43-44,46-47,51,60,65H,10-15,17,19,24-25,27-31,34,56H2,1-9H3,(H,57,66)(H,59,69)(H,61,67)(H,62,70)(H,63,71)(H,64,68)/t37-,38?,43+,44+,46+,47+,51+/m1/s1
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n/an/a 135n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50316599
PNG
(CHEMBL1098669 | N-((S)-1-((2S,3S)-5-((S)-1-((S)-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#N)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H43N7O6/c1-19(2)16-25(29(34)42)38-31(44)23(13-14-33)36-27(41)18-26(40)24(17-21-10-6-5-7-11-21)37-32(45)28(20(3)4)39-30(43)22-12-8-9-15-35-22/h5-12,15,19-20,23-26,28,40H,13,16-18H2,1-4H3,(H2,34,42)(H,36,41)(H,37,45)(H,38,44)(H,39,43)/t23-,24-,25-,26-,28-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195372
PNG
(CHEMBL220718 | N-biphenyl-4-ylmethyl-N-(2-dibutyla...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H48N2O/c1-4-7-11-14-30-17-23-34(24-18-30)35(38)37(28-27-36(25-8-5-2)26-9-6-3)29-31-19-21-33(22-20-31)32-15-12-10-13-16-32/h10,12-13,15-24H,4-9,11,14,25-29H2,1-3H3
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n/an/a 143n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010846
PNG
(CHEMBL3264806)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CC1)c1cccc(OC)c1)N1CCCCC1
Show InChI InChI=1S/C39H52N4O4/c1-4-19-43(20-5-2)38(46)31-24-30(25-33(26-31)42-21-10-7-11-22-42)37(45)41-35(23-29-13-8-6-9-14-29)36(44)28-40-39(17-18-39)32-15-12-16-34(27-32)47-3/h6,8-9,12-16,24-27,35-36,40,44H,4-5,7,10-11,17-23,28H2,1-3H3,(H,41,45)/t35-,36+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010854
PNG
(CHEMBL587764 | TCMDC-134674)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasmepsin II


(Plasmodium falciparum)
BDBM50195388
PNG
(CHEMBL387316 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)c2ccnc(OC)c2)cc1
Show InChI InChI=1S/C36H50N4O3/c1-5-8-11-12-29-13-17-31(18-14-29)36(42)40(26-25-39(23-9-6-2)24-10-7-3)28-30-15-19-33(20-16-30)38-35(41)32-21-22-37-34(27-32)43-4/h13-22,27H,5-12,23-26,28H2,1-4H3,(H,38,41)
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n/an/a 154n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195415
PNG
(CHEMBL375351 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN1CCC(CCCc2ccccc2)CC1)Cc1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C42H50N2O3/c1-2-3-5-9-34-14-20-38(21-15-34)42(45)44(29-28-43-26-24-35(25-27-43)13-8-12-33-10-6-4-7-11-33)31-36-16-18-37(19-17-36)39-22-23-40-41(30-39)47-32-46-40/h4,6-7,10-11,14-23,30,35H,2-3,5,8-9,12-13,24-29,31-32H2,1H3
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n/an/a 165n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195389
PNG
((4'-{[(2-dibutylamino-ethyl)-(4-pentyl-benzoyl)-am...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1
Show InChI InChI=1S/C38H52N2O3/c1-5-8-11-12-31-13-23-36(24-14-31)38(42)40(28-27-39(25-9-6-2)26-10-7-3)30-33-17-21-35(22-18-33)34-19-15-32(16-20-34)29-37(41)43-4/h13-24H,5-12,25-30H2,1-4H3
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n/an/a 183n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195423
PNG
(CHEMBL219771 | N-(4-thiomorpholinobenzyl)-N-(2-(di...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCSCC1
Show InChI InChI=1S/C33H51N3OS/c1-4-7-10-11-29-12-16-31(17-13-29)33(37)36(23-22-34(20-8-5-2)21-9-6-3)28-30-14-18-32(19-15-30)35-24-26-38-27-25-35/h12-19H,4-11,20-28H2,1-3H3
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n/an/a 188n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010843
PNG
(CHEMBL3264805)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cncc(OC)c1)N1CCCCC1
Show InChI InChI=1S/C38H53N5O4/c1-6-16-43(17-7-2)37(46)30-21-29(22-32(23-30)42-18-12-9-13-19-42)36(45)41-34(20-28-14-10-8-11-15-28)35(44)27-40-38(3,4)31-24-33(47-5)26-39-25-31/h8,10-11,14-15,21-26,34-35,40,44H,6-7,9,12-13,16-20,27H2,1-5H3,(H,41,45)/t34-,35+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010899
PNG
(CHEMBL3264803)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1
Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195422
PNG
(CHEMBL375125 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN1CCC(Cc2ccccc2)CC1)Cc1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C40H46N2O3/c1-2-3-5-8-31-11-17-36(18-12-31)40(43)42(26-25-41-23-21-33(22-24-41)27-32-9-6-4-7-10-32)29-34-13-15-35(16-14-34)37-19-20-38-39(28-37)45-30-44-38/h4,6-7,9-20,28,33H,2-3,5,8,21-27,29-30H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195384
PNG
(CHEMBL223243 | N-(4-(4-phenylpiperazin-1-yl)benzyl...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C39H56N4O/c1-4-7-11-14-34-17-21-36(22-18-34)39(44)43(28-27-40(25-8-5-2)26-9-6-3)33-35-19-23-38(24-20-35)42-31-29-41(30-32-42)37-15-12-10-13-16-37/h10,12-13,15-24H,4-9,11,14,25-33H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195419
PNG
(CHEMBL385329 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)C2CCCNC2)cc1
Show InChI InChI=1S/C35H54N4O2/c1-4-7-10-12-29-14-18-31(19-15-29)35(41)39(26-25-38(23-8-5-2)24-9-6-3)28-30-16-20-33(21-17-30)37-34(40)32-13-11-22-36-27-32/h14-21,32,36H,4-13,22-28H2,1-3H3,(H,37,40)
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n/an/a 202n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195412
PNG
(CHEMBL375526 | N-(4-(pyridin-4-yl)benzyl)-N-(2-(di...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C34H47N3O/c1-4-7-10-11-29-12-18-33(19-13-29)34(38)37(27-26-36(24-8-5-2)25-9-6-3)28-30-14-16-31(17-15-30)32-20-22-35-23-21-32/h12-23H,4-11,24-28H2,1-3H3
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n/an/a 212n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195378
PNG
(CHEMBL375169 | N-(4-(phenylamino)benzyl)-N-(2-(dib...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C35H49N3O/c1-4-7-11-14-30-17-21-32(22-18-30)35(39)38(28-27-37(25-8-5-2)26-9-6-3)29-31-19-23-34(24-20-31)36-33-15-12-10-13-16-33/h10,12-13,15-24,36H,4-9,11,14,25-29H2,1-3H3
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n/an/a 224n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195392
PNG
(CHEMBL220370 | N-(4-(1H-pyrrol-1-yl)benzyl)-N-(2-(...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C33H47N3O/c1-4-7-10-13-29-14-18-31(19-15-29)33(37)36(27-26-34(22-8-5-2)23-9-6-3)28-30-16-20-32(21-17-30)35-24-11-12-25-35/h11-12,14-21,24-25H,4-10,13,22-23,26-28H2,1-3H3
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n/an/a 240n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195417
PNG
(CHEMBL220277 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C34H47N5O2/c1-4-7-10-11-28-12-16-30(17-13-28)34(41)39(25-24-38(22-8-5-2)23-9-6-3)27-29-14-18-31(19-15-29)37-33(40)32-26-35-20-21-36-32/h12-21,26H,4-11,22-25,27H2,1-3H3,(H,37,40)
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n/an/a 243n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010839
PNG
(CHEMBL3264804)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccncc1)N1CCCCC1
Show InChI InChI=1S/C37H51N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-32(26-30)41-21-11-8-12-22-41)35(44)40-33(23-28-13-9-7-10-14-28)34(43)27-39-37(3,4)31-15-17-38-18-16-31/h7,9-10,13-18,24-26,33-34,39,43H,5-6,8,11-12,19-23,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50195393
PNG
(CHEMBL375225 | N-(4-(benzyl(methyl)amino)benzyl)-N...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C37H53N3O/c1-5-8-12-15-32-18-22-35(23-19-32)37(41)40(29-28-39(26-9-6-2)27-10-7-3)31-34-20-24-36(25-21-34)38(4)30-33-16-13-11-14-17-33/h11,13-14,16-25H,5-10,12,15,26-31H2,1-4H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50010856
PNG
(CHEMBL3264797)
Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1
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TBA

Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50316598
PNG
(CHEMBL1098670 | N-((S)-1-((2S,3S)-5-((S)-1-((S)-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C33H44N6O6/c1-6-12-24(32(44)38-26(30(34)42)17-20(2)3)36-28(41)19-27(40)25(18-22-13-8-7-9-14-22)37-33(45)29(21(4)5)39-31(43)23-15-10-11-16-35-23/h1,7-11,13-16,20-21,24-27,29,40H,12,17-19H2,2-5H3,(H2,34,42)(H,36,41)(H,37,45)(H,38,44)(H,39,43)/t24-,25-,26-,27-,29-/m0/s1
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Wayne State University

Curated by ChEMBL


Assay Description
Competitive inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
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